3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol

C11H26O3Si2 — CID 87616350

IUPAC3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol
SMILESC[Si](C)(C)C=C(OCC(O)CO)[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-15(2,3)9-11(16(4,5)6)14-8-10(13)7-12/h9-10,12-13H,7-8H2,1-6H3
InChIKeyIRAHPLFDJFBUTO-UHFFFAOYSA-N
MW262.50 g/mol
LogP1.99
Rot. Bonds6

About 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol

3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol (PubChem CID 87616350) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol
PubChem CID87616350
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Name3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol
SMILESC[Si](C)(C)C=C(OCC(O)CO)[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-15(2,3)9-11(16(4,5)6)14-8-10(13)7-12/h9-10,12-13H,7-8H2,1-6H3
InChIKeyIRAHPLFDJFBUTO-UHFFFAOYSA-N
XLogP1.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol?
The IUPAC name of 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol (CID 87616350) is 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol?
The canonical SMILES for 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol is C[Si](C)(C)C=C(OCC(O)CO)[Si](C)(C)C.
What is the InChIKey of 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol?
The InChIKey is IRAHPLFDJFBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-15(2,3)9-11(16(4,5)6)14-8-10(13)7-12/h9-10,12-13H,7-8H2,1-6H3.
What are the key properties of 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol?
3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol has a molecular weight of 262.50 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol is sourced from PubChem (CID 87616350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).